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Farnesyl Diphosphate Synthase Inhibitors from In Silico Screening

The relaxed complex scheme is an in silico drug screening method that accounts for receptor flexibility using molecular dynamics simulations. Here, we used this approach combined with similarity searches and experimental inhibition assays to identify several low micromolar, non-bisphosphonate inhibi...

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Detalhes bibliográficos
Main Authors: Lindert, Steffen, Zhu, Wei, Liu, Yi-Liang, Pang, Ran, Oldfield, Eric, McCammon, J Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: Blackwell Publishing Ltd 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3671582/
https://ncbi.nlm.nih.gov/pubmed/23421555
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.12121
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